2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine

C13H27NO3 — CID 176946500

IUPAC2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine
SMILESCCC1OC(OCCOCCN)CC(C)C1C
InChIInChI=1S/C13H27NO3/c1-4-12-11(3)10(2)9-13(17-12)16-8-7-15-6-5-14/h10-13H,4-9,14H2,1-3H3
InChIKeyZOXVUWVJANJXQH-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.78
Rot. Bonds7

About 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine

2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine (PubChem CID 176946500) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine
PubChem CID176946500
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC Name2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine
SMILESCCC1OC(OCCOCCN)CC(C)C1C
InChIInChI=1S/C13H27NO3/c1-4-12-11(3)10(2)9-13(17-12)16-8-7-15-6-5-14/h10-13H,4-9,14H2,1-3H3
InChIKeyZOXVUWVJANJXQH-UHFFFAOYSA-N
XLogP1.78
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]-6-(hydroxymethyl)oxan-4-ol
CID 169106537
(3R,4R,6R)-6-ethoxy-2,3,4-trimethyloxane
CID 58651620
(2R,3S,5S)-5-butoxy-3-methyl-2-pentyloxolane
CID 101097713
2-[2-(2-ethyl-3-methylcyclopropyl)ethoxy]ethanamine
CID 91309834
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
2-[2-(oxolan-3-yloxy)ethoxy]ethanamine
CID 103482534
molecular hydrogen;2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 169185868
2-(2-ethoxyethoxy)ethanamine;molecular hydrogen
CID 142365297
2-ethyl-3-methoxy-5,6-dimethyloxane
CID 148593418
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2,4-dimethyl-6-propoxy-1,3-dioxane
CID 89315667
2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 18764651

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine?
The IUPAC name of 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine (CID 176946500) is 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine.
What is the SMILES notation for 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine?
The canonical SMILES for 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine is CCC1OC(OCCOCCN)CC(C)C1C.
What is the InChIKey of 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine?
The InChIKey is ZOXVUWVJANJXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-12-11(3)10(2)9-13(17-12)16-8-7-15-6-5-14/h10-13H,4-9,14H2,1-3H3.
What are the key properties of 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine?
2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine has a molecular weight of 245.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-ethyl-4,5-dimethyloxan-2-yl)oxyethoxy]ethanamine is sourced from PubChem (CID 176946500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).